N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C11H11Cl2F3N2 — CID 62890608

IUPACN-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(Cc1nc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C11H11Cl2F3N2/c12-8-3-4-10(13)17-9(8)5-18(7-1-2-7)6-11(14,15)16/h3-4,7H,1-2,5-6H2
InChIKeyNLDPPXGHZHQRCH-UHFFFAOYSA-N
MW299.12 g/mol
LogP3.92
Rot. Bonds4

About N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62890608) has the molecular formula C11H11Cl2F3N2 and a molecular weight of 299.12 g/mol. Its IUPAC name is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62890608
Molecular FormulaC11H11Cl2F3N2
Molecular Weight299.12 g/mol
Exact Mass298.03
IUPAC NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(Cc1nc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C11H11Cl2F3N2/c12-8-3-4-10(13)17-9(8)5-18(7-1-2-7)6-11(14,15)16/h3-4,7H,1-2,5-6H2
InChIKeyNLDPPXGHZHQRCH-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62890608) is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(Cc1nc(Cl)ccc1Cl)C1CC1.
What is the InChIKey of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is NLDPPXGHZHQRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3N2/c12-8-3-4-10(13)17-9(8)5-18(7-1-2-7)6-11(14,15)16/h3-4,7H,1-2,5-6H2.
What are the key properties of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 299.12 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62890608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).